3,5-Di-tert-butyl-2-hydroxybenzaldehyde - CAS 37942-07-7
Catalog: |
BB023470 |
Product Name: |
3,5-Di-tert-butyl-2-hydroxybenzaldehyde |
CAS: |
37942-07-7 |
Synonyms: |
Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-2-hydroxy-; 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzaldehyde; Salicylaldehyde, 3,5-di-tert-butyl-; 2-Hydroxy-3,5-bis(tert-butyl)benzaldehyde; 2-Hydroxy-3,5-di-tert-butylbenzaldehyde; 3,5-Bis(tert-butyl)salicylaldehyde; 3,5-Bis-tert-butyl-2-hydroxybenzaldehyde; 3,5-Di-t-butyl-2-hydroxybenzaldehyde; 3,5-Di-t-butylsalicylaldehyde; 3,5-Di-tert-butylsalicylaldehyde; 3,5-Di-tert-butylsalicylic aldehyde; 3,5-tert-Butyl-2-hydroxybenzaldehyde |
Related CAS: | 66232-32-4 (Deleted CAS)
|
IUPAC Name: | 3,5-ditert-butyl-2-hydroxybenzaldehyde |
Description: | 3,5-Di-tert-butyl-2-hydroxybenzaldehyde (CAS# 37942-07-7) is a salicylaldehyde derivative with antibacterial activity used in the preparation nickel complexes. 3,5-Di-t-butyl-2-hydroxybenzaldehyde is structurally related to 3,5-di-t-butylcatechol (DTCAT) but is not as potent an activator of rat skeletal muscle ryanodine receptor Ca2+ channel (RyRC). |
Molecular Weight: | 234.33 |
Molecular Formula: | C15H22O2 |
Canonical SMILES: | CC(C)(C)C1=CC(=C(C(=C1)C=O)O)C(C)(C)C |
InChI: | InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H3 |
InChI Key: | RRIQVLZDOZPJTH-UHFFFAOYSA-N |
Boiling Point: | 114-116°C |
Melting Point: | 59-63°C |
Purity: | 95% |
Density: | 1.006±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Ethanol, Ethyl Acetate (Slightly, Heated), Methanol (Slightly) |
Appearance: | Off-white to Light Yellow Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00191998 |
LogP: | 3.79970 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22925979 | 20121101 | Synthesis, characterization and electrochemical study of synthesis of a new Schiff base (H₂cddi(t)butsalen) ligand and their two asymmetric Schiff base complexes of Ni(II) and Cu(II) with NN'OS coordination spheres | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22277075 | 20120125 | Highly selective fluorescent chemosensor for Zn2+ derived from inorganic-organic hybrid magnetic core/shell Fe3O4@SiO2 nanoparticles | Nanoscale research letters |
22219946 | 20111101 | (E)-2'-[(3,5-Di-tert-butyl-2-hy-droxy-benzyl-idene)amino]-1,1'-binaphthalen-2-ol methanol monosolvate | Acta crystallographica. Section E, Structure reports online |
21799979 | 20110921 | Unsymmetric salen ligands bearing a Lewis base: intramolecularly cooperative catalysis for cyanosilylation of aldehydes | Organic & biomolecular chemistry |
20381963 | 20100715 | Solid phase extraction of copper(II) ions using C18-silica disks modified by oxime ligands | Journal of hazardous materials |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.161979940 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.161979940 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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